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- W4224936020 abstract "A high-pressure neutron powder diffraction study was conducted on perdeuterated para-xylene (C8D10). para-Xylene crystallizes in the monoclinic crystal system (space group P21/n) at ambient temperature and ca. 0.1 GPa. The structure is consistent with the known low-temperature form. No further phase transitions were observed in the pressure range 0.11(1)–4.72(2) GPa. A complementary high-pressure single-crystal diffraction experiment was performed on hydrogenous para-xylene confirming the assigned space group P21/n. An isothermal equation of state was obtained [bulk modulus, B0 = 3.5(4) GPa] and structural changes of the material have been investigated as a function of pressure. This experimental study is supported by dispersion-corrected density functional theory calculations." @default.
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- W4224936020 date "2022-04-27" @default.
- W4224936020 modified "2023-09-29" @default.
- W4224936020 title "High-Pressure Structural Behavior of <i>para</i>-Xylene" @default.
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- W4224936020 doi "https://doi.org/10.1021/acs.cgd.2c00249" @default.
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